methyl 2-[4-acetyloxy-3,3,7-trimethyl-2-oxidanylidene-1-(phenylmethyl)indol-5-yl]but-3-enoate

Systemtic Name: methyl 2-[4-acetyloxy-3,3,7-trimethyl-2-oxidanylidene-1-(phenylmethyl)indol-5-yl]but-3-enoate Openeye Name: methyl 2-(4-acetoxy-1-benzyl-3,3,7-trimethyl-2-oxo-indolin-5-yl)but-3-enoate CAS Name: 2-[4-acetyloxy-3,3,7-trimethyl-2-oxo-1-(phenylmethyl)-5-indolyl]-3-butenoic acid methyl ester IUPAC Name: methyl 2-(4-acetyloxy-1-benzyl-3,3,7-trimethyl-2-oxoindol-5-yl)but-3-enoate Traditional Name: 2-(4-acetoxy-1-benzyl-2-keto-3,3,7-trimethyl-indolin-5-yl)but-3-enoic acid methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N(C(=O)C2(C)C)CC3=CC=CC=C3)OC(=O)C)C(C=C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C2=C1N(C(=O)C2(C)C)CC3=CC=CC=C3)OC(=O)C)C(C=C)C(=O)OC

InChI

InChI=1S/C25H27NO5/c1-7-18(23(28)30-6)19-13-15(2)21-20(22(19)31-16(3)27)25(4,5)24(29)26(21)14-17-11-9-8-10-12-17/h7-13,18H,1,14H2,2-6H3